6DH0
Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with darunavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-20 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.096, 58.063, 61.831 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.451 - 1.899 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.21210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ll3 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.710 |
Data scaling software | HKL-3000 (703x) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.451 | 2.045 |
High resolution limit [Å] | 1.899 | 1.899 |
Number of reflections | 15103 | |
<I/σ(I)> | 12.4 | |
Completeness [%] | 99.9 | |
Redundancy | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 23-24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |